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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > micacocidin
organooxygen compound > micacocidin

Preferred term

micacocidin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C27H39N3O4S3

has_functional_parent

inchi

  • InChI=1S/C27H39N3O4S3/c1-6-7-8-10-16-11-9-12-19(31)20(16)22-28-17(13-35-22)23-30(5)18(14-36-23)21(32)26(2,3)24-29-27(4,15-37-24)25(33)34/h9,11-12,17-18,21,23,31-32H,6-8,10,13-15H2,1-5H3,(H,33,34)/t17-,18+,21-,23-,27-/m1/s1

inchikey

  • GGWOUCUSNYVHOC-QJKBBIFYSA-N

mass

  • 565.810

monoisotopicmass

  • 565.21027

smiles

  • S1C(=N[C@](C1)(C(=O)O)C)C([C@H](O)[C@H]2N([C@@H]([C@@H]3N=C(C4=C(O)C=CC=C4CCCCC)SC3)SC2)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (4S)-2-[(1S)-1-hydroxy-1-[(2R,4R)-2-[(4R)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198957

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